| 1536193-36-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• CAS: 1536193-36-8
• 化学式: C₁₅₂H₁₁₀N₁₂
• 分子量: 2104.63
• InChiKey: FRXWLMYULCAVDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  32.6
• 重原子数：
  164
• 可旋转键数：
  6
• 环数：
  42.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  155
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2,3-diammoniumtriptycene dichloride 、 9,16,32,39,54,61-Hexatert-butyl-5,20,28,43,50,65-hexazaicosacyclo[22.22.22.211,14.234,37.256,59.02,23.04,21.06,19.07,12.013,18.025,46.027,44.029,42.030,35.036,41.047,68.049,66.051,64.052,57.058,63]tetraheptaconta-2,4(21),5,7(12),8,10,13(18),14,16,19,22,25,27(44),28,30(35),31,33,36(41),37,39,42,45,47,49(66),50,52(57),53,55,58(63),59,61,64,67-tritriacontaene-69,70,71,72,73,74-hexone 在 potassium acetate 作用下， 以 氯仿 、 溶剂黄146 为溶剂， 反应 15.0h， 以79%的产率得到
  参考文献：
  名称：

  Rigid π-Extended Triptycenes via a Hexaketone Precursor

  摘要：

  A high-yielding synthesis of a rigid hexaketone is presented that can be transformed into pi-extended D-3h-symmetric triptycene derivatives with high internal molecular free volumes (IMFVs). The products show excellent photophysical properties combined with high specific surface areas.

  DOI：

  10.1021/ol403383y

文献信息

• Rigid π-Extended Triptycenes via a Hexaketone Precursor
  作者：Bernd Kohl、Frank Rominger、Michael Mastalerz

  DOI：10.1021/ol403383y

  日期：2014.2.7

  A high-yielding synthesis of a rigid hexaketone is presented that can be transformed into pi-extended D-3h-symmetric triptycene derivatives with high internal molecular free volumes (IMFVs). The products show excellent photophysical properties combined with high specific surface areas.